N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

C14H18N2OS — CID 61330443

IUPACN-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1ccccc1OC
InChIInChI=1S/C14H18N2OS/c1-3-8-15-13(14-16-9-10-18-14)11-6-4-5-7-12(11)17-2/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyOVJFFTGTDBYCDA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.24
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61330443) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61330443
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1ccccc1OC
InChIInChI=1S/C14H18N2OS/c1-3-8-15-13(14-16-9-10-18-14)11-6-4-5-7-12(11)17-2/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyOVJFFTGTDBYCDA-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61330443) is N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccs1)c1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is OVJFFTGTDBYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-8-15-13(14-16-9-10-18-14)11-6-4-5-7-12(11)17-2/h4-7,9-10,13,15H,3,8H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61330443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).